SCHEMBL1489415

SCHEMBL1489415

COc1cc(S(=O)(=O)Cl)ccc1OC(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL66188 0.86 TSHR (0.70) POLBTSHRMAPK1KMT2AALDH1A1
SCHEMBL1489902 0.83 MAPK1 (0.53) POLBTSHRMAPK1KMT2AALDH1A1
SCHEMBL12594020 0.81 ALDH1A1 (0.49) POLBTSHRMAPK1KMT2AALDH1A1
SCHEMBL15209590 0.80 PTGDR (0.43) POLBKMT2ACYP1A2
SCHEMBL1611607 0.79 TSHR (0.51) POLBTSHRMAPK1KMT2AALDH1A1
SCHEMBL6689827 0.78 ALDH1A1 (0.58) POLBTSHRMAPK1KMT2AALDH1A1
SCHEMBL4181820 0.78 TSHR (0.55) POLBTSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL1489970 0.77 TSHR (0.53) POLBTSHRMAPK1KMT2AALDH1A1
SCHEMBL1489382 0.76 RXRA (0.47) POLB
SCHEMBL4180377 0.76 TSHR (0.56) POLBTSHRMAPK1ALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362067-B2 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-01-29 US disclosed
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF AVPR1B, AVPR1A, AVPR2 POLB 4017/4885TSHR 383/4885MAPK1 3328/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.